N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C24H33Cl2N7O — CID 68997109

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCN1CCOCC1CN1CCN(c2nc3c(c(NCc4ccc(Cl)cc4Cl)n2)CNCC3)CC1
InChIInChI=1S/C24H33Cl2N7O/c1-31-10-11-34-16-19(31)15-32-6-8-33(9-7-32)24-29-22-4-5-27-14-20(22)23(30-24)28-13-17-2-3-18(25)12-21(17)26/h2-3,12,19,27H,4-11,13-16H2,1H3,(H,28,29,30)
InChIKeyJVFSPOGEKIRBAE-UHFFFAOYSA-N
MW506.48 g/mol
LogP2.49
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 68997109) has the molecular formula C24H33Cl2N7O and a molecular weight of 506.48 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID68997109
Molecular FormulaC24H33Cl2N7O
Molecular Weight506.48 g/mol
Exact Mass505.21
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCN1CCOCC1CN1CCN(c2nc3c(c(NCc4ccc(Cl)cc4Cl)n2)CNCC3)CC1
InChIInChI=1S/C24H33Cl2N7O/c1-31-10-11-34-16-19(31)15-32-6-8-33(9-7-32)24-29-22-4-5-27-14-20(22)23(30-24)28-13-17-2-3-18(25)12-21(17)26/h2-3,12,19,27H,4-11,13-16H2,1H3,(H,28,29,30)
InChIKeyJVFSPOGEKIRBAE-UHFFFAOYSA-N
XLogP2.49
TPSA68.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-[4-(1-pyrrolidin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 69001462
tert-butyl 4-[(2,4-dichlorophenyl)methylamino]-2-[4-(2-morpholin-4-ylethylcarbamoyl)piperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 68999987
tert-butyl 4-[(2,4-dichlorophenyl)methylamino]-2-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 69002539
tert-butyl N-[N'-[2-[4-[6-(cyclopropanecarbonyl)-4-[(2,4-dichlorophenyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazin-1-yl]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 69001316
N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-4-amine;ethane
CID 143477318
2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 91963312
N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865535
1-[4-[4-[(2,4-dichlorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 71680077
N-[(2,4-dichlorophenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675759
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 60701467
[4-[4-[(2,4-dichlorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-thiomorpholin-3-ylmethanone
CID 78147836
5-chloro-N-[(2,4-dichlorophenyl)methyl]-6-methyl-2-(3-piperidin-2-ylpyrrolidin-1-yl)pyrimidin-4-amine;ethane
CID 169233766

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 68997109) is N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CN1CCOCC1CN1CCN(c2nc3c(c(NCc4ccc(Cl)cc4Cl)n2)CNCC3)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is JVFSPOGEKIRBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33Cl2N7O/c1-31-10-11-34-16-19(31)15-32-6-8-33(9-7-32)24-29-22-4-5-27-14-20(22)23(30-24)28-13-17-2-3-18(25)12-21(17)26/h2-3,12,19,27H,4-11,13-16H2,1H3,(H,28,29,30).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 506.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-methylmorpholin-3-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 68997109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).